SMIRKS
[H]OS(=O)(=O)O[C@:4]([C@:2]([C:1]([H:26])([H:27])[H:28])([O:3][H:17])[H:25])([C@@:10]([O:11][H:19])([C@:12]([O:13][H:20])([C:14](=[O:15])[H:21])[H:22])[H:23])[H:24].[H][O:16][H:29]>>[C:1]([C@:2]([O:3][H:17])([C@:4]([C@@:10]([O:11][H:19])([C@:12]([O:13][H:20])([C:14](=[O:15])[H:21])[H:22])[H:23])([O:16][H:29])[H:24])[H:25])([H:26])([H:27])[H:28]
Derived Operators
EVODEX.1-F141 - Elemental Balance
| O | -4 |
| S | -1 |
| H | -2 |
EVODEX.1-M113 - Mass Difference
-97.96736
EVODEX.1-E797 - Reaction Operator E
[#8](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[#16](=[#8])(=[#8])-[#8]-[H].[#8:234](-[H:387])-[H]>>[#8:234](-[#6@@:42](-[#6@@:40])(-[H:261])-[#6@:48])-[H:387]
EVODEX.1-C523 - Reaction Operator C
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4].[H]-[#8:16]>>[#8:16]-[#6@:4]
EVODEX.1-N1375 - Reaction Operator N
[H]-[#8]-[#16](=[#8])(=[#8])-[#8]-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24].[H]-[#8:16]-[H:29]>>[#8:16](-[#6@:4](-[#6@:2])(-[#6@@:10])-[H:24])-[H:29]
EVODEX.1-Em629 - Reaction Operator Em
[#16]-[#8]-[#6:4](-[#6:2])-[#6:10].[H]-[#8:16]>>[#6:2]-[#6:4](-[#6:10])-[#8:16]
EVODEX.1-Nm564 - Reaction Operator Nm
[#16]-[#8]-[#6:4](-[#6:2])-[#6:10].[H]-[#8:16]>>[#6:2]-[#6:4](-[#6:10])-[#8:16]
Source Full Reactions
EVODEX.1-R5131
[C:1]([C@:2]([O:3][H:17])([C@@:4]([O:5][S:6](=[O:7])(=[O:8])[O:9][H:18])([C@@:10]([O:11][H:19])([C@:12]([O:13][H:20])([C:14](=[O:15])[H:21])[H:22])[H:23])[H:24])[H:25])([H:26])([H:27])[H:28].[H][O:16][H:29]>>[C:1]([C@:2]([O:3][H:17])([C@:4]([C@@:10]([O:11][H:19])([C@:12]([O:13][H:20])([C:14](=[O:15])[H:21])[H:22])[H:23])([O:16][H:29])[H:24])[H:25])([H:26])([H:27])[H:28].[H][O:5][S:6](=[O:7])(=[O:8])[O:9][H:18]